2-azanyl-N-(4-isoquinolin-5-ylsulfanyl-3-nitro-phenyl)-2-methyl-propanamide

Systemtic Name: 2-azanyl-N-(4-isoquinolin-5-ylsulfanyl-3-nitro-phenyl)-2-methyl-propanamide Openeye Name: 2-amino-N-[4-(5-isoquinolylsulfanyl)-3-nitro-phenyl]-2-methyl-propanamide CAS Name: 2-amino-N-[4-(5-isoquinolinylthio)-3-nitrophenyl]-2-methylpropanamide IUPAC Name: 2-amino-N-(4-isoquinolin-5-ylsulfanyl-3-nitrophenyl)-2-methylpropanamide Traditional Name: 2-amino-N-[4-(5-isoquinolylthio)-3-nitro-phenyl]-2-methyl-propionamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=CC(=C(C=C1)SC2=CC=CC3=C2C=CN=C3)[N+](=O)[O-])N

Isomeric SMILES

CC(C)(C(=O)NC1=CC(=C(C=C1)SC2=CC=CC3=C2C=CN=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H18N4O3S/c1-19(2,20)18(24)22-13-6-7-17(15(10-13)23(25)26)27-16-5-3-4-12-11-21-9-8-14(12)16/h3-11H,20H2,1-2H3,(H,22,24)